In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2009 | 30 | No |
Popular Name: (2S)-1-benzyl-4-hydroxy-2-(3-nitrophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (2S)-1-benzyl-4-hydroxy-2-(3-nit…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.61 | 10.61 | -52.96 | 0 | 7 | -1 | 106 | 419.438 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.61 | 9.86 | -13.39 | 1 | 7 | 0 | 103 | 420.446 | 6 | ↓ |